4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid

C11H20N2O6S — CID 61244034

IUPAC4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCS(=O)(=O)N1CCCC(C(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C11H20N2O6S/c1-20(18,19)13-5-2-3-8(7-13)10(15)12-9(4-6-14)11(16)17/h8-9,14H,2-7H2,1H3,(H,12,15)(H,16,17)
InChIKeyKBYUXBDJJCGSJP-UHFFFAOYSA-N
MW308.36 g/mol
LogP-1.39
Rot. Bonds6

About 4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid

4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 61244034) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
PubChem CID61244034
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCS(=O)(=O)N1CCCC(C(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C11H20N2O6S/c1-20(18,19)13-5-2-3-8(7-13)10(15)12-9(4-6-14)11(16)17/h8-9,14H,2-7H2,1H3,(H,12,15)(H,16,17)
InChIKeyKBYUXBDJJCGSJP-UHFFFAOYSA-N
XLogP-1.39
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 43357770
(2R)-4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 78975931
4-amino-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43171434
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243104
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 115362212

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid (CID 61244034) is 4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid is CS(=O)(=O)N1CCCC(C(=O)NC(CCO)C(=O)O)C1.
What is the InChIKey of 4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is KBYUXBDJJCGSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-20(18,19)13-5-2-3-8(7-13)10(15)12-9(4-6-14)11(16)17/h8-9,14H,2-7H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid?
4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 308.36 g/mol, XLogP of -1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61244034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).